CXY LATTICE,NONEQUIV.ATOMS   7   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 26.584667 21.265088 21.310442 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.13131000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.86869000 Y=0.00000000 Z=0.00000000
      -1: X=0.13131000 Y=0.50000000 Z=0.50000000
      -1: X=0.86869000 Y=0.50000000 Z=0.50000000
Mo         NPT=  781  R0=.000010000 RMT= 2.35        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.15000000 Z=0.06507000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.85000000 Z=0.93493000
      -2: X=0.00000000 Y=0.65000000 Z=0.43493000
      -2: X=0.00000000 Y=0.35000000 Z=0.56507000
Mo         NPT=  781  R0=.000010000 RMT= 2.35        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.43475000 Z=0.35031000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.56525000 Z=0.64969000
      -3: X=0.00000000 Y=0.93475000 Z=0.14969000
      -3: X=0.00000000 Y=0.06525000 Z=0.85031000
Mo         NPT=  781  R0=.000010000 RMT= 2.35        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.12374000 Y=0.08084000 Z=0.20378000
          MULT= 8          ISPLIT= 8
      -4: X=0.87626000 Y=0.91916000 Z=0.79622000
      -4: X=0.12374000 Y=0.58084000 Z=0.29622000
      -4: X=0.87626000 Y=0.41916000 Z=0.70378000
      -4: X=0.87626000 Y=0.08084000 Z=0.20378000
      -4: X=0.12374000 Y=0.91916000 Z=0.79622000
      -4: X=0.87626000 Y=0.58084000 Z=0.29622000
      -4: X=0.12374000 Y=0.41916000 Z=0.70378000
Cl         NPT=  781  R0=.000100000 RMT= 2.12        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.37610000 Y=0.29578000 Z=0.08040000
          MULT= 8          ISPLIT= 8
      -5: X=0.62390000 Y=0.70422000 Z=0.91960000
      -5: X=0.37610000 Y=0.79578000 Z=0.41960000
      -5: X=0.62390000 Y=0.20422000 Z=0.58040000
      -5: X=0.62390000 Y=0.29578000 Z=0.08040000
      -5: X=0.37610000 Y=0.70422000 Z=0.91960000
      -5: X=0.62390000 Y=0.79578000 Z=0.41960000
      -5: X=0.37610000 Y=0.20422000 Z=0.58040000
Cl         NPT=  781  R0=.000100000 RMT= 2.12        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.30047000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.69953000 Y=0.00000000 Z=0.00000000
      -6: X=0.30047000 Y=0.50000000 Z=0.50000000
      -6: X=0.69953000 Y=0.50000000 Z=0.50000000
Cl         NPT=  781  R0=.000100000 RMT= 2.12        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.00000000 Y=0.35722000 Z=0.14318000
          MULT= 4          ISPLIT= 8
      -7: X=0.00000000 Y=0.64278000 Z=0.85682000
      -7: X=0.00000000 Y=0.85722000 Z=0.35682000
      -7: X=0.00000000 Y=0.14278000 Z=0.64318000
Cl         NPT=  781  R0=.000100000 RMT= 2.12        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000